Information card for entry 1571390

Structure parameters

• Formula: C31 H20 Cl2 F10 Ir N6 P
• Calculated formula: C31 H20 Cl2 F10 Ir N6 P
• Title of publication: Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors
• Authors of publication: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 281
• a: 9.6985 ± 0.0008 Å
• b: 24.7164 ± 0.0018 Å
• c: 13.7261 ± 0.0009 Å
• α: 90°
• β: 93.775 ± 0.003°
• γ: 90°
• Cell volume: 3283.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No